N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 375875
• 分子式: C15H24N2O4
• 平均质量: 296.36206
• 单一同位素质量: 296.17360726
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCC(O)COCC
• Canonical SMILES: CCOCC(CNC(=O)c1c(C)cc(n(c1=O)CC)C)O
• InChI: InChI=1S/C15H24N2O4/c1-5-17-11(4)7-10(3)13(15(17)20)14(19)16-8-12(18)9-21-6-2/h7,12,18H,5-6,8-9H2,1-4H3,(H,16,19)
• InChIKey: LVWYLIHEVITBNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
• 别名: N-(3-ethoxy-2-hydroxypropyl)-1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 14.062116
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.2737463
• LogD (pH = 7.4): -0.27374616
• Log P: -0.27374604
• 摩尔折射率: 82.3395 cm^3
• 极化性: 30.909157 Å^3
• 极化表面积: 78.87 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: 0.47
• LOG S: -1.76
• 极化表面积: 80.56 Å^2
• 可自由旋转的化学键: 7